| SpectraBase Compound ID | 4FTXvxTBOWD |
|---|---|
| InChI | InChI=1S/C32H32O16/c1-41-18-8-13(5-6-16(18)33)31(40)46-12-22-25(36)27(38)28(39)32(48-22)47-21-10-19-23(26(37)30(21)44-4)24(35)15(11-45-19)14-7-17(34)29(43-3)20(9-14)42-2/h5-11,22,25,27-28,32-34,36-39H,12H2,1-4H3/t22-,25-,27+,28-,32-/m1/s1 |
| InChIKey | QJIJXRYWRDSFAA-ZPWUYAKLSA-N |
| Mol Weight | 672.6 g/mol |
| Molecular Formula | C32H32O16 |
| Exact Mass | 672.169035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7N0D9u4fnFD |
|---|---|
| Name | 6''-O-VANILLOYLIRIDIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H32O16 |
| InChI | InChI=1S/C32H32O16/c1-41-18-8-13(5-6-16(18)33)31(40)46-12-22-25(36)27(38)28(39)32(48-22)47-21-10-19-23(26(37)30(21)44-4)24(35)15(11-45-19)14-7-17(34)29(43-3)20(9-14)42-2/h5-11,22,25,27-28,32-34,36-39H,12H2,1-4H3/t22-,25-,27+,28-,32-/m1/s1 |
| InChIKey | QJIJXRYWRDSFAA-ZPWUYAKLSA-N |
| Literature Reference Author | H.ITO,S.ONOUE,T.YOSHIDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,1229(2001) |
| Literature Reference DOI | 10.1248/cpb.49.1229 |
| Molecular Weight | 672.596 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWVN29118 |